N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide

C21H21ClN4O — CID 46249402

IUPACN-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C21H21ClN4O/c1-14-15(22)8-7-11-16(14)25-21(27)19-20(26-12-5-2-6-13-26)24-18-10-4-3-9-17(18)23-19/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,25,27)
InChIKeyOSNQOZQLWXSHTG-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.83
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide

N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide (PubChem CID 46249402) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
PubChem CID46249402
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C21H21ClN4O/c1-14-15(22)8-7-11-16(14)25-21(27)19-20(26-12-5-2-6-13-26)24-18-10-4-3-9-17(18)23-19/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,25,27)
InChIKeyOSNQOZQLWXSHTG-UHFFFAOYSA-N
XLogP4.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
3-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)quinoxaline-2-carboxamide
CID 22585960
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886350
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365217
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
3-[3-(3-chloro-2-methylanilino)-2,3-dioxopropyl]-N-(2-methylphenyl)quinoxaline-2-carboxamide
CID 4181779
methyl 2-[[3-(4-methylpiperazin-1-yl)quinoxaline-2-carbonyl]amino]benzoate
CID 46365225

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide (CID 46249402) is N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The InChIKey is OSNQOZQLWXSHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-14-15(22)8-7-11-16(14)25-21(27)19-20(26-12-5-2-6-13-26)24-18-10-4-3-9-17(18)23-19/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 46249402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).